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10-[(E)-2-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile

Formula:C24H13N7OClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low 10-[(E)-2-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile is not a drug-like molecule.
MolName10-[(E)-2-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile
MolecularFormulaC24H13N7OClF3
SmilesN#Cc1c2ncc(c(/C=C/Nc3cccc(Oc(ncc(C(F)(F)F)c4)c4Cl)c3)ncc3)c3n2nc1
InChIInChI=1S/C24H13ClF3N7O/c25-19-8-15(24(26,27)28)12-33-23(19)36-17-3-1-2-16(9-17)30-6-4-20-18-13-32-22-14(10-29)11-34-35(22)21(18)5-7-31-20/h1-9,11-13,30H
InChIKQFAISSWITGKRBU-UHFFFAOYSA-N
TotalMolweight507.862
Molweight507.862
MonoisotopicMass507.082219
CLogP3.346
CLogS-8.564
H Acceptors8
H Donors1
TotalSurfaceArea362.22
Relative PSA0.23977
PolarSurfaceArea101.02
Druglikeness-7.9775
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

Request More Details | 10-[(E)-2-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile


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